p-Isoamylphenol
TL;DR: p-Isoamylphenol (CAS 1805-61-4) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbutyl)phenol
Also Known As: p-Isoamylphenol, 4-Isopentylphenol, Isoamylphenol, 4-(3-methylbutyl)phenol, Ismine
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 1805-61-4 |
|---|---|
| SMILES | CC(C)CCC1=CC=C(C=C1)O |
| InChIKey | YSNKZJBCZRIRQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Isoamylphenol (CAS 1805-61-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 4-(3-methylbutyl)phenol.
Chemical Property Profile of p-Isoamylphenol
Property Insights of p-Isoamylphenol
The XLogP value of 4.0 indicates that p-Isoamylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, p-Isoamylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Isoamylphenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Isoamylphenol?
The CAS number of p-Isoamylphenol is 1805-61-4.
What is the molecular formula of p-Isoamylphenol?
The molecular formula of p-Isoamylphenol is C11H16O.
What is the molecular weight of p-Isoamylphenol?
The molecular weight of p-Isoamylphenol is 164.12 g/mol.
Where can I buy p-Isoamylphenol?
You can request a quote for p-Isoamylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Isoamylphenol?
Yes, KEHONG BIO provides custom synthesis services for p-Isoamylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.